SCHEMBL6274227

SCHEMBL6274227

CC(C)=CCC/C(C)=C/COc1c(O)c2cc(O)ccc2oc1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 3/20 0.60
▸ GAA P10253 3/20 0.60
▸ SI P14410 3/20 0.60
▸ PTPN1 P18031 3/20 0.60
▸ MGAM2 Q2M2H8 3/20 0.60
▸ ALOX15 P16050 9/20 0.53
▸ TDP1 Q9NUW8 5/20 0.53
▸ CYP3A4 P08684 4/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ HPGD P15428 3/20 0.53
▸ MAPT P10636 2/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ BACE1 P56817 2/20 0.53
▸ CYP2E1 P05181 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ CYP2B6 P20813 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6274230 1.00 MGAM (0.60) MGAMGAASIPTPN1MGAM2
SCHEMBL6272788 0.91 TDP1 (0.58) MGAMGAASIPTPN1MGAM2
SCHEMBL6272791 0.91 TDP1 (0.58) MGAMGAASIPTPN1MGAM2
SCHEMBL8490260 0.87 MGAM (0.55) MGAMGAASIPTPN1MGAM2
SCHEMBL8490264 0.87 MGAM (0.55) MGAMGAASIPTPN1MGAM2
SCHEMBL6274270 0.86 MGAM (0.56) MGAMGAASIPTPN1MGAM2
SCHEMBL6274277 0.86 MGAM (0.56) MGAMGAASIPTPN1MGAM2
SCHEMBL8496688 0.86 TDP1 (0.61) MGAMGAASIPTPN1MGAM2
SCHEMBL6274311 0.85 MGAM (0.55) MGAMGAASIPTPN1MGAM2
SCHEMBL6277165 0.85 MGAM (0.55) MGAMGAASIPTPN1MGAM2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1273578-B1 Benzopyran derivatives and antiallergic agent containing the same DAINIPPON INK & CHEMICALS (JP) 2005-02-23 — — EP disclosed
US-6670391-B2 For inhibiting both immediate and delayed type allergic reactions; side effect reduction DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-12-30 — — US disclosed
US-20030096860-A1 Benzopyran derivative and antiallergic agent DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-05-22 — — US disclosed
EP-1273578-A1 Benzopyran derivatives and antiallergic agent containing the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-01-08 — — EP disclosed
EP-0598117-B1 BENZOPYRAN DERIVATIVE AND ANTIALLERGIC AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT DAINIPPON INK & CHEMICALS (JP) 1999-06-30 — — EP disclosed
US-5428059-A Benzopyran derivatives and an anti-allergic agent possessing the same as the active ingredient DAINIPPON INK & CHEMICALS, INC. (JP) 1995-06-27 — — US disclosed
EP-0598117-A1 BENZOPYRAN DERIVATIVE AND ANTIALLERGIC AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT DAINIPPON INK AND CHEMICALS, INC. (JP) 1994-05-25 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030096860-A1 Benzopyran derivative and antiallergic agent HRH2, HRH1, HRH4 MGAM 2163/4885GAA 1904/4885SI 719/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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